2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

C10H14F5NO4S — CID 88935346

IUPAC2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESO=C(CCN1CCS(=O)(=O)CC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO4S/c11-9(12,10(13,14)15)7-20-8(17)1-2-16-3-5-21(18,19)6-4-16/h1-7H2
InChIKeyDCXVWWJSBXGVPM-UHFFFAOYSA-N
MW339.28 g/mol
LogP0.85
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate

2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (PubChem CID 88935346) has the molecular formula C10H14F5NO4S and a molecular weight of 339.28 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
PubChem CID88935346
Molecular FormulaC10H14F5NO4S
Molecular Weight339.28 g/mol
Exact Mass339.06
IUPAC Name2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
SMILESO=C(CCN1CCS(=O)(=O)CC1)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO4S/c11-9(12,10(13,14)15)7-20-8(17)1-2-16-3-5-21(18,19)6-4-16/h1-7H2
InChIKeyDCXVWWJSBXGVPM-UHFFFAOYSA-N
XLogP0.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate (CID 88935346) is 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is O=C(CCN1CCS(=O)(=O)CC1)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
The InChIKey is DCXVWWJSBXGVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO4S/c11-9(12,10(13,14)15)7-20-8(17)1-2-16-3-5-21(18,19)6-4-16/h1-7H2.
What are the key properties of 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate?
2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate has a molecular weight of 339.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate is sourced from PubChem (CID 88935346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).